1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C17H22N2 — CID 25215501

IUPAC1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)c1ccc(C2NCCn3cccc32)cc1
InChIInChI=1S/C17H22N2/c1-17(2,3)14-8-6-13(7-9-14)16-15-5-4-11-19(15)12-10-18-16/h4-9,11,16,18H,10,12H2,1-3H3
InChIKeyNIEVEVDYGJBSDA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.48
Rot. Bonds1

About 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 25215501) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID25215501
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)c1ccc(C2NCCn3cccc32)cc1
InChIInChI=1S/C17H22N2/c1-17(2,3)14-8-6-13(7-9-14)16-15-5-4-11-19(15)12-10-18-16/h4-9,11,16,18H,10,12H2,1-3H3
InChIKeyNIEVEVDYGJBSDA-UHFFFAOYSA-N
XLogP3.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 25215501) is 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is CC(C)(C)c1ccc(C2NCCn3cccc32)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is NIEVEVDYGJBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,3)14-8-6-13(7-9-14)16-15-5-4-11-19(15)12-10-18-16/h4-9,11,16,18H,10,12H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 254.38 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 25215501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).